ChemSpider 2D Image | (3beta,5beta,14xi)-14-Hydroxy-3-{[(4xi)-4,6-O-isopropylidene-beta-D-xylo-hexopyranosyl]oxy}card-20(22)-enolide | C32H48O9

(3β,5β,14ξ)-14-Hydroxy-3-{[(4ξ)-4,6-O-isopropylidene-β-D-xylo-hexopyranosyl]oxy}card-20(22)-enolide

  • Molecular FormulaC32H48O9
  • Average mass576.718 Da
  • Monoisotopic mass576.329834 Da
  • ChemSpider ID164594

  • defined stereocentres - 11 of 13 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(3β,5β,14ξ)-14-Hydroxy-3-{[(4ξ)-4,6-O-isopropylidene-β-D-xylo-hexopyranosyl]oxy}card-20(22)-enolide [ACD/IUPAC Name]
(3β,5β,14ξ)-14-Hydroxy-3-{[(4ξ)-4,6-O-isopropylidène-β-D-xylo-hexopyranosyl]oxy}card-20(22)-énolide [French] [ACD/IUPAC Name]
(3β,5β,14ξ)-14-Hydroxy-3-{[(4ξ)-4,6-O-isopropyliden-β-D-xylo-hexopyranosyl]oxy}card-20(22)-enolid [German] [ACD/IUPAC Name]
Card-20(22)-enolide, 14-hydroxy-3-[[(4ξ)-4,6-O-(1-methylethylidene)-β-D-xylo-hexopyranosyl]oxy]-, (3β,5β,14ξ)- [ACD/Index Name]
116861-64-4 [RN]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.3±0.1 g/cm3
Boiling Point: 729.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.4 mmHg at 25°C
Enthalpy of Vaporization: 121.5±6.0 kJ/mol
Flash Point: 231.4±26.4 °C
Index of Refraction: 1.593
Molar Refractivity: 148.9±0.4 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 3.20
ACD/LogD (pH 5.5): 2.50
ACD/BCF (pH 5.5): 46.57
ACD/KOC (pH 5.5): 544.02
ACD/LogD (pH 7.4): 2.50
ACD/BCF (pH 7.4): 46.56
ACD/KOC (pH 7.4): 544.02
Polar Surface Area: 124 Å2
Polarizability: 59.0±0.5 10-24cm3
Surface Tension: 58.0±5.0 dyne/cm
Molar Volume: 439.3±5.0 cm3

Click to predict properties on the Chemicalize site


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